SCHEMBL192679

SCHEMBL192679

CC(C)C(O)Cc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.57
SLC6A3 Q01959 2/20 0.57
SLC6A4 P31645 3/20 0.50
ACACB O00763 1/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KCNH2 Q12809 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
CHRNA4 P43681 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19342839 1.00 SLC6A2 (0.57) SLC6A2SLC6A3SLC6A4ACACBLMNA
SCHEMBL20644421 0.83 ESR1 (0.45) ACACBLMNAHTR2ACYP2C9NFKB1
SCHEMBL2424315 0.82 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4ACACBLMNA
SCHEMBL4161150 0.82 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4ACACBLMNA
SCHEMBL4158699 0.82 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4ACACBLMNA
SCHEMBL3940696 0.80 SLC6A2 (0.59) SLC6A2SLC6A3SLC6A4ACACBLMNA
SCHEMBL17191622 0.80 TAAR1 (0.59) SLC6A2SLC6A3SLC6A4HTR2ACYP3A4
SCHEMBL23347539 0.78 TRPA1 (0.62) KMT2AAOC3IDO1
SCHEMBL19342845 0.78 ACACB (0.42) ACACBMEN1KMT2A
SCHEMBL20353192 0.77 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4ACACBLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190255052-A1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-08-22 US disclosed
US-9718788-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. 2017-05-18 US disclosed
US-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-23 US disclosed
US-9458108-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-10-04 US disclosed
EP-2402334-B1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARM INC (US) 2016-06-29 EP disclosed
US-20160039761-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-11 US disclosed
US-9150525-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-20150183753-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-02 US disclosed
US-8901136-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-22 US disclosed
EP-2402334-A1 Inhibitors of E1 Activating Enzymes Millennium Pharmaceuticals, Inc. (US) 2012-01-04 EP disclosed
US-8008307-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-30 US disclosed
EP-2049491-B1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARM INC (US) 2010-10-20 EP disclosed
EP-2049491-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-22 EP disclosed
EP-1989206-A2 INHIBITORS OF E1 ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-11-12 EP disclosed
US-20080051404-A1 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-28 US disclosed
WO-2008019124-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed
US-20070191293-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 US disclosed
WO-2007092213-A2 INHIBITORS OF E1 ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150183753-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 SLC6A2 4833/4885SLC6A3 4804/4885SLC6A4 4863/4885
US-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 SLC6A2 4833/4885SLC6A3 4804/4885SLC6A4 4863/4885
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 SLC6A2 4857/4885SLC6A3 4852/4885SLC6A4 4869/4885
US-20080051404-A1 Heteroaryl compounds useful as inhibitors of E1 activating enzymes RCE1, ECE1, UBE2E1 SLC6A2 4833/4885SLC6A3 4804/4885SLC6A4 4863/4885
US-20190255052-A1 Inhibitors of E1 Activating Enzymes ECE1, RNASE1, RCE1 SLC6A2 4857/4885SLC6A3 4852/4885SLC6A4 4869/4885
US-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 SLC6A2 4833/4885SLC6A3 4804/4885SLC6A4 4863/4885
US-20160039761-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 SLC6A2 4833/4885SLC6A3 4804/4885SLC6A4 4863/4885
US-20070191293-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 SLC6A2 4857/4885SLC6A3 4852/4885SLC6A4 4869/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.